N-[(3-chlorophenyl)methyl]-N-[(4-nitrophenyl)methyl]methanesulfonamide

C15H15ClN2O4S — CID 141467047

IUPACN-[(3-chlorophenyl)methyl]-N-[(4-nitrophenyl)methyl]methanesulfonamide
SMILESCS(=O)(=O)N(Cc1ccc([N+](=O)[O-])cc1)Cc1cccc(Cl)c1
InChIInChI=1S/C15H15ClN2O4S/c1-23(21,22)17(11-13-3-2-4-14(16)9-13)10-12-5-7-15(8-6-12)18(19)20/h2-9H,10-11H2,1H3
InChIKeyUZSRIZNJEBZXEJ-UHFFFAOYSA-N
MW354.82 g/mol
LogP3.21
Rot. Bonds6

About N-[(3-chlorophenyl)methyl]-N-[(4-nitrophenyl)methyl]methanesulfonamide

N-[(3-chlorophenyl)methyl]-N-[(4-nitrophenyl)methyl]methanesulfonamide (PubChem CID 141467047) has the molecular formula C15H15ClN2O4S and a molecular weight of 354.82 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]-N-[(4-nitrophenyl)methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]-N-[(4-nitrophenyl)methyl]methanesulfonamide
PubChem CID141467047
Molecular FormulaC15H15ClN2O4S
Molecular Weight354.82 g/mol
Exact Mass354.04
IUPAC NameN-[(3-chlorophenyl)methyl]-N-[(4-nitrophenyl)methyl]methanesulfonamide
SMILESCS(=O)(=O)N(Cc1ccc([N+](=O)[O-])cc1)Cc1cccc(Cl)c1
InChIInChI=1S/C15H15ClN2O4S/c1-23(21,22)17(11-13-3-2-4-14(16)9-13)10-12-5-7-15(8-6-12)18(19)20/h2-9H,10-11H2,1H3
InChIKeyUZSRIZNJEBZXEJ-UHFFFAOYSA-N
XLogP3.21
TPSA80.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.82
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(3-chlorophenyl)methyl]-N-(4-fluorophenyl)-4-nitrobenzenesulfonamide
CID 46022451
N-[(3-chlorophenyl)methyl]-N-methyl-3-methylsulfonyl-2-nitroaniline
CID 133393071
1-(3-chlorophenyl)-3-(4-nitrophenyl)propan-2-amine
CID 65017477
N-[(3-chlorophenyl)methyl]-N-methyl-3,5-dinitrobenzamide
CID 27795250
N-(3-chlorophenyl)-N-[(4-fluorophenyl)methyl]-4-nitrobenzenesulfonamide
CID 46022495
1-[(3-chlorophenyl)methyl]-3-nitrobenzene
CID 57038379
N-hydroxy-3-[methylsulfonyl-[(4-nitrophenyl)methyl]amino]propanamide
CID 10852942
1-(3-chlorophenyl)-N-[(4-nitrophenyl)methyl]propan-2-amine
CID 43694721
N-[(4-bromo-3-nitrophenyl)methyl]-1-(3-chlorophenyl)-N-methylmethanamine
CID 115557639
N-[(3-chlorophenyl)methyl]-2-methyl-4-nitroaniline
CID 43425365
N-[(3-chlorophenyl)methyl]-1-(4-nitrophenyl)ethanamine
CID 62537905
N-benzyl-N-[(4-nitrophenyl)methyl]-1-phenylmethanamine
CID 23507092

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methyl]-N-[(4-nitrophenyl)methyl]methanesulfonamide?
The IUPAC name of N-[(3-chlorophenyl)methyl]-N-[(4-nitrophenyl)methyl]methanesulfonamide (CID 141467047) is N-[(3-chlorophenyl)methyl]-N-[(4-nitrophenyl)methyl]methanesulfonamide.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]-N-[(4-nitrophenyl)methyl]methanesulfonamide?
The canonical SMILES for N-[(3-chlorophenyl)methyl]-N-[(4-nitrophenyl)methyl]methanesulfonamide is CS(=O)(=O)N(Cc1ccc([N+](=O)[O-])cc1)Cc1cccc(Cl)c1.
What is the InChIKey of N-[(3-chlorophenyl)methyl]-N-[(4-nitrophenyl)methyl]methanesulfonamide?
The InChIKey is UZSRIZNJEBZXEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O4S/c1-23(21,22)17(11-13-3-2-4-14(16)9-13)10-12-5-7-15(8-6-12)18(19)20/h2-9H,10-11H2,1H3.
What are the key properties of N-[(3-chlorophenyl)methyl]-N-[(4-nitrophenyl)methyl]methanesulfonamide?
N-[(3-chlorophenyl)methyl]-N-[(4-nitrophenyl)methyl]methanesulfonamide has a molecular weight of 354.82 g/mol, XLogP of 3.21, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)methyl]-N-[(4-nitrophenyl)methyl]methanesulfonamide is sourced from PubChem (CID 141467047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).